MMsINC Database Search


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MMsINC code: MMs02841610

Type: Neutral
Formula: C₁₇H₃₂N₂+2

SMILES:

[N+](C)(C)(C)c1ccc(cc1)CCCCC[N+](C)(C)C

InChI:

InChI=1/C17H32N2/c1-18(2,3)15-9-7-8-10-16-11-13-17(14-12-16)19(4,5)6/h11-14H,7-10,15H2,1-6H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2226 kcal/mol

Physical Properties
Molecular Weight: 264.457 g/mol	logS: -2.21666	SlogP: 3.30227	Reactive groups: 0

Topological Properties
Globularity: 0.0603597	Sterimol/B1: 2.41007	Sterimol/B2: 2.68535	Sterimol/B3: 4.82977
Sterimol/B4: 5.08341	Sterimol/L: 18.0732

Surface and Volume Properties
Accessible surface: 573.857	Positive charged surface: 508.449	Negative charged surface: 65.4076	Volume: 312.25
Hydrophobic surface: 466.85	Hydrophilic surface: 107.007

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.